TRIMETHYLAMINE N-OXIDE HYDROCHLORIDE

The Trimethylamine N-oxide, with the CAS registry number 1184-78-7, is also known as N,N-Dimethylmethanamine N-oxide. It belongs to the product categories of Oxidation; Synthetic Organic Chemistry. Its EINECS number is 214-675-6. This chemical's molecular formula is C₃H₉NO and molecular weight is 75.11. What's more, its systematic name is Trimethylamine oxide. Its classification codes are: (1)Noxae; (2)Oxidants. This substance is used in protein folding experiments to counteract the unfolding effects of urea. It is used in manufacture of quaternary ammonium cpds. It is used as an insect attractant and warming agent for gas. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Trimethylamine N-oxide are: (1)ACD/LogP: -2.516; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.58; (4)ACD/LogD (pH 7.4): -2.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å².

Preparation: Treatment of aqueous trimethylamine with hydrogen peroxide affords the dihydrate (Me = CH₃). Trimethylamine-N-oxide is biosynthesized from trimethylamine, which is derived from choline.

H₂O₂ + Me₃N → H₂O + Me₃NO

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C[N+](C)(C)[O-]
(2)Std. InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
(3)Std. InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N